General Information of the Compound
| Compound ID |
CP0493874
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| Compound Name |
N-[4-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]phenyl]thieno[2,3-b]quinoline-2-carboxamide
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| Structure |
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| Formula |
C29H22N2O4S
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| Molecular Weight |
494.572
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| Canonical SMILES |
COc1ccc(\C=C\C(=O)c2ccc(NC(=O)c3cc4cc5ccccc5nc4s3)cc2)cc1OC
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| InChI |
InChI=1S/C29H22N2O4S/c1-34-25-14-8-18(15-26(25)35-2)7-13-24(32)19-9-11-22(12-10-19)30-28(33)27-17-21-16-20-5-3-4-6-23(20)31-29(21)36-27/h3-17H,1-2H3,(H,30,33)/b13-7+
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| InChIKey |
OFBSIIDZKSUXRY-NTUHNPAUSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound